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Carcinogenic activity and the spectra of aromatic hydrocarbons
Author(s) -
Steele Richard H.,
Cusachs Louis Chopin,
Mcglynn S. P.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560010621
Subject(s) - chemistry , carcinogen , excited state , hydroxylation , resonance (particle physics) , molecule , oxygen , photochemistry , singlet state , spectral line , computational chemistry , organic chemistry , atomic physics , enzyme , physics , astronomy
Abstract Analysis of spectroscopic data for a large number of aromatic hydrocarbons reveals a single correlation between molecular energy levels and carcinogenic activity. This activity reaches its maximum when the difference between the lowest excited singlet term ( 1 L L ) and the lowest triplet ( 3 L L ) level is one electron volt. This is consistent with the process suggested by Kautsky:\documentclass{article}\pagestyle{empty}\begin{document}$$ ^1 L_b + ^3 O_2 \rightarrow ^3 L_a + ^1 O_2 $$\end{document}Under conditions when this resonance match is most exact, and efficient energy transfer is expected, carcinogenic activity appears. Graphical representation of carcinogenic activity as a function of the ( 1 L L – 3 L L ) interval reveals a Gaussian shaped distribution with its maximum at the resonance energy for the oxygen ∞, transition. Four groups of important chemical carcinogens all undergo an initial common metabolic transformation, namely aromatic hydroxylation, which requires an activation and the participation of molecular oxygen. The evidence presented here suggests that the activation event may be the generation of electronically excited oxygen molecules.